SCHEMBL28533673

SCHEMBL28533673

O=C(CCCN(c1cccc(Br)c1)[SH](=O)=O)Nc1ncc([N+](=O)[O-])s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.56
▸ ATG4B Q9Y4P1 3/20 0.53
▸ MEN1 O00255 9/20 0.51
▸ KMT2A Q03164 9/20 0.51
▸ RAB9A P51151 8/20 0.51
▸ MAPT P10636 7/20 0.51
▸ NPC1 O15118 6/20 0.51
▸ HTT P42858 3/20 0.51
▸ ALDH1A1 P00352 5/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ STAT3 P40763 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CASP7 P55210 2/20 0.44
▸ CASP6 P55212 2/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28523379 0.89 LMNA (0.60) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL28907541 0.84 LMNA (0.61) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL28535985 0.84 LMNA (0.61) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL28518116 0.83 LMNA (0.60) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL28535984 0.75 MEN1 (0.58) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL881339 0.75 LMNA (0.84) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL1395039 0.73 LMNA (1.00) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL1392634 0.72 LMNA (0.92) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL8236728 0.72 LMNA (0.74) LMNAATG4BMEN1KMT2ARAB9A
SCHEMBL4884971 0.71 LMNA (0.90) LMNAATG4BMEN1KMT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503569-B Thiazole derivative and preparation method and application thereof 山东大学 2021-01-15 — — CN disclosed
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